title: The role of sp-hybridized atoms in carbon ferromagnetism: a spin-polarized density functional theory calculation.
abstract: We address the room-temperature (RT) carbon ferromagnetism by considering the magnetic states of low-dimensional carbons linked by sp-hybridized carbon atoms. Based on the spin-polarized density functional theory calculations, we find that the sp(*) orbitals of carbon atoms can bring magnetic moments into different carbon allotropes which may eventually give rise to the long-range ferromagnetic ordering at room temperature through an indirect carrier-mediated coupling mechanism. The fact that this indirect coupling is Fermi-level-dependent predicts that the individual magnetism of diverse carbon materials is governed by their chemical environments. This mechanism may help to illuminate the RT magnetic properties of carbon-based materials and to explore the new magnetic applications of carbon materials.
authors.affiliation: School of Physical and Mathematical Sciences, Nanyang Technological University, Singapore.
authors.forename: X F
authors.initials: XF
authors.lastname: Fan
authors.forename: L
authors.initials: L
authors.lastname: Liu
authors.forename: R Q
authors.initials: RQ
authors.lastname: Wu
authors.forename: G W
authors.initials: GW
authors.lastname: Peng
authors.forename: H M
authors.initials: HM
authors.lastname: Fan
authors.forename: Y P
authors.initials: YP
authors.lastname: Feng
authors.forename: J-L
authors.initials: JL
authors.lastname: Kuo
authors.forename: Z X
authors.initials: ZX
authors.lastname: Shen